4-[(2Z)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[(2Z)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)ethanoyl]benzenecarbonitrile Openeye Name: 4-[(2Z)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)acetyl]benzonitrile CAS Name: 4-[(2Z)-1-oxo-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)ethyl]benzonitrile IUPAC Name: 4-[(2Z)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)acetyl]benzonitrile Traditional Name: 4-[(2Z)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)acetyl]benzonitrile Formula: C22H22N2O MolecularWeight: 330.42288

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=CC(=O)C3=CC=C(C=C3)C#N)NC1(C)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2/C(=C/C(=O)C3=CC=C(C=C3)C#N)/NC1(C)C)C

InChI

InChI=1S/C22H22N2O/c1-21(2)18-8-6-5-7-17(18)19(24-22(21,3)4)13-20(25)16-11-9-15(14-23)10-12-16/h5-13,24H,1-4H3/b19-13-